3,4-ditert-butylfuran

C12H20O — CID 15635411

IUPAC3,4-ditert-butylfuran
SMILESCC(C)(C)c1cocc1C(C)(C)C
InChIInChI=1S/C12H20O/c1-11(2,3)9-7-13-8-10(9)12(4,5)6/h7-8H,1-6H3
InChIKeyBYSIBNVWRRMCRQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.87
Rot. Bonds

About 3,4-ditert-butylfuran

3,4-ditert-butylfuran (PubChem CID 15635411) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,4-ditert-butylfuran.

Molecular Properties

Compound Name3,4-ditert-butylfuran
PubChem CID15635411
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3,4-ditert-butylfuran
SMILESCC(C)(C)c1cocc1C(C)(C)C
InChIInChI=1S/C12H20O/c1-11(2,3)9-7-13-8-10(9)12(4,5)6/h7-8H,1-6H3
InChIKeyBYSIBNVWRRMCRQ-UHFFFAOYSA-N
XLogP3.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butylfuran?
The IUPAC name of 3,4-ditert-butylfuran (CID 15635411) is 3,4-ditert-butylfuran.
What is the SMILES notation for 3,4-ditert-butylfuran?
The canonical SMILES for 3,4-ditert-butylfuran is CC(C)(C)c1cocc1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butylfuran?
The InChIKey is BYSIBNVWRRMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-11(2,3)9-7-13-8-10(9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 3,4-ditert-butylfuran?
3,4-ditert-butylfuran has a molecular weight of 180.29 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butylfuran is sourced from PubChem (CID 15635411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).